(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-methoxy-5-nitro-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-methoxy-5-nitro-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C16H15NO6S/c1-22-14-7-6-11(17(20)21)10-12(14)16(19)23-8-2-4-13(18)15-5-3-9-24-15/h3,5-7,9-10H,2,4,8H2,1H3